Molecule

ID:111536

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
InChIKey
GAEKPEKOJKCEMS-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(=O)O1
Isomeric Smiles
CC1CCC(=O)O1
Calculated Properties
JChem
LogD (pH = 7.4)
0.57
LogD (pH = 5.5)
0.57
Log P
0.57
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.04
Polar Surface Area
26.30
Polarizability
10.18
Molar Refractivity
24.73
LOG S
-0.18
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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